Search results for: Tandem mass spectrometry
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 1098

Search results for: Tandem mass spectrometry

1098 An Information Theoretic Approach to Rescoring Peptides Produced by De Novo Peptide Sequencing

Authors: John R. Rose, James P. Cleveland, Alvin Fox

Abstract:

Tandem mass spectrometry (MS/MS) is the engine driving high-throughput protein identification. Protein mixtures possibly representing thousands of proteins from multiple species are treated with proteolytic enzymes, cutting the proteins into smaller peptides that are then analyzed generating MS/MS spectra. The task of determining the identity of the peptide from its spectrum is currently the weak point in the process. Current approaches to de novo sequencing are able to compute candidate peptides efficiently. The problem lies in the limitations of current scoring functions. In this paper we introduce the concept of proteome signature. By examining proteins and compiling proteome signatures (amino acid usage) it is possible to characterize likely combinations of amino acids and better distinguish between candidate peptides. Our results strongly support the hypothesis that a scoring function that considers amino acid usage patterns is better able to distinguish between candidate peptides. This in turn leads to higher accuracy in peptide prediction.

Keywords: Tandem mass spectrometry, proteomics, scoring, peptide, de novo, mutual information

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1097 Underivatized Amino Acid Analyses Using Liquid Chromatography-Tandem Mass Spectrometry in Scalp Hair of Children with Autism Spectrum Disorder

Authors: Ayat Bani Rashaid, Zain Khasawneh, Mazin Alqhazo, Shreen Nusair, Mohammad El-Khateeb, Mahmoud Bashtawi

Abstract:

Autism Spectrum disorder (ASD) is a psychiatric disorder with unknown etiology that mainly affects children in the first three years of life. Alterations of amino acid levels are believed to contribute to ASD. The levels of six essential amino acids (methionine, histidine, valine, leucine, threonine, and phenylalanine), five conditional amino acids (proline, tyrosine, glutamine, cysteine, and cystine), and five non-essential amino acids (asparagine, aspartic acid, alanine, serine, and glutamic acid) in hair samples of children with ASD (n = 25) were analyzed and compared to corresponding levels in healthy age-matched controls (n = 25). The results showed that the levels of methionine, alanine, and asparagine were significantly lower in the hair samples of ASD group compared to those of the control group (p ≤ 0.05). However, the levels of glutamic acid were significantly higher in the ASD group than the control group (p ≤ 0.05). The current findings could contribute towards further understanding of ASD etiology and provide specialists with a hair amino acid profile utilized as a biomarker for early diagnosis of ASD. Such biomarkers could participate in future developments of therapies that reduce ASD-related symptoms.

Keywords: Autism spectrum disorder, amino acids, liquid chromatography-tandem mass spectrometry, human hair.

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1096 New Complexes of Nickel (II) Using 4-Hydroxy-2-Oxo-2H-Chromene-3-Carboxamide as Ligand

Authors: Dije Dehari, Ahmed Jashari, Shefket Dehari, Agim Shabani

Abstract:

New complexes of nickel (II) have been synthesized in the reaction mixture of nickel (II) acetate and 4-hydroxy-2-oxo-2H-chromene-3-carboxamide. Bis(4-hydroxy-2-oxo-2H-chromene-3-carboxamidato-O,O)nickel (II) and diaquabis(4-hydroxy-2-oxo-2H-chromene-3-carboxamidato-O,O)nickel (II) were characterized by elemental analysis, IR spectroscopy and ESI mass spectrometry. Elemental analysis and mass spectrometry data of the complexes suggests the stoichiometry of 1:2 (metal-ligand).

Keywords: Nickel complexes, 4-hydroxy-2-oxo-2H-chromene-3-carboxamide, IR spectroscopy, mass spectrometry.

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1095 Analysis of the Supramolecular Complex of Kinetin with Glycyrrhizic Acid Using the Chromatography Mass Spectrometry Method

Authors: B. Y. Matmuratov, S. D. Madrakhimova. R. S. Esanov. A. D. Matchanov

Abstract:

Supramolecular complexes of glycyrrhizic acid with kinetin in various molar ratios were obtained, physico-chemical parameters and spectral properties of the resulting complexes were studied (UV, IR, mass spectrometry.

Keywords: Monoammonium salt of glycyrrhizic acid, glycyrrhizic acid, supramolecular complex, isomolar series, IR spectroscopy.

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1094 Finding Approximate Tandem Repeats with the Burrows-Wheeler Transform

Authors: Agnieszka Danek, Rafał Pokrzywa

Abstract:

Approximate tandem repeats in a genomic sequence are two or more contiguous, similar copies of a pattern of nucleotides. They are used in DNA mapping, studying molecular evolution mechanisms, forensic analysis and research in diagnosis of inherited diseases. All their functions are still investigated and not well defined, but increasing biological databases together with tools for identification of these repeats may lead to discovery of their specific role or correlation with particular features. This paper presents a new approach for finding approximate tandem repeats in a given sequence, where the similarity between consecutive repeats is measured using the Hamming distance. It is an enhancement of a method for finding exact tandem repeats in DNA sequences based on the Burrows- Wheeler transform.

Keywords: approximate tandem repeats, Burrows-Wheeler transform, Hamming distance, suffix array

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1093 Stability of Essential Oils in Pang-Rum by Gas Chromatography-Mass Spectrometry

Authors: K. Jarmkom, P. Eakwaropas, W. Khobjai, S. Techaeoi

Abstract:

Ancient Thai perfumed powder was used as a fragrance for clothing, food, and the body. Plant-based natural Thai perfume products are known as Pang-Rum. The objective of this study was to evaluate the stability of essential oils after six months of incubation. The chemical compositions were determined by gas chromatography-mass spectrometry (GC-MS), in terms of the qualitative composition of the isolated essential oil. The isolation of the essential oil of natural products by incubate sample for 5 min at 40 ºC is described. The volatile components were identified by percentage of total peak areas comparing their retention times of GC chromatograph with NIST mass spectral library. The results show no significant difference in the seven chromatograms of perfumed powder (Pang-Rum) both with binder and without binder. Further identification was done by GC-MS. Some components of Pang-Rum with/without binder were changed by temperature and time.

Keywords: GC-MS analysis, essential oils, stability, Pang-Rum.

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1092 Secondary Ion Mass Spectrometry of Proteins

Authors: Santanu Ray, Alexander G. Shard

Abstract:

The adsorption of bovine serum albumin (BSA), immunoglobulin G (IgG) and fibrinogen (Fgn) on fluorinated selfassembled monolayers have been studied using time of flight secondary ion mass spectrometry (ToF-SIMS) and Spectroscopic Ellipsometry (SE). The objective of the work has to establish the utility of ToF-SIMS for the determination of the amount of protein adsorbed on the surface. Quantification of surface adsorbed proteins was carried out using SE and a good correlation between ToF-SIMS results and SE was achieved. The surface distribution of proteins were also analysed using Atomic Force Microscopy (AFM). We show that the surface distribution of proteins strongly affect the ToFSIMS results.

Keywords: ToF-SIMS, Spectroscopic Ellipsometry, Protein, Atomic Force Microscopy.

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1091 Efficient Solution for a Class of Markov Chain Models of Tandem Queueing Networks

Authors: Chun Wen, Tingzhu Huang

Abstract:

We present a new numerical method for the computation of the steady-state solution of Markov chains. Theoretical analyses show that the proposed method, with a contraction factor α, converges to the one-dimensional null space of singular linear systems of the form Ax = 0. Numerical experiments are used to illustrate the effectiveness of the proposed method, with applications to a class of interesting models in the domain of tandem queueing networks.

Keywords: Markov chains, tandem queueing networks, convergence, effectiveness.

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1090 Automatic Threshold Search for Heat Map Based Feature Selection: A Cancer Dataset Analysis

Authors: Carlos Huertas, Reyes Juarez-Ramirez

Abstract:

Public health is one of the most critical issues today; therefore, there is great interest to improve technologies in the area of diseases detection. With machine learning and feature selection, it has been possible to aid the diagnosis of several diseases such as cancer. In this work, we present an extension to the Heat Map Based Feature Selection algorithm, this modification allows automatic threshold parameter selection that helps to improve the generalization performance of high dimensional data such as mass spectrometry. We have performed a comparison analysis using multiple cancer datasets and compare against the well known Recursive Feature Elimination algorithm and our original proposal, the results show improved classification performance that is very competitive against current techniques.

Keywords: Feature selection, mass spectrometry, biomarker discovery, cancer.

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1089 Determination of Penicillins Residues in Livestock and Marine Products by LC/MS/MS

Authors: Ji Young Song, Soo Jung Hu, Hyunjin Joo, Joung Boon Hwang, Mi Ok Kim, Shin Jung Kang, Dae Hyun Cho

Abstract:

Multi-residue analysis method for penicillins was developed and validated in bovine muscle, chicken, milk, and flatfish. Detection was based on liquid chromatography tandem mass spectrometry (LC/MS/MS). The developed method was validated for specificity, precision, recovery, and linearity. The analytes were extracted with 80% acetonitrile and clean-up by a single reversed-phase solid-phase extraction step. Six penicillins presented recoveries higher than 76% with the exception of Amoxicillin (59.7%). Relative standard deviations (RSDs) were not more than 10%. LOQs values ranged from 0.1 and to 4.5 ug/kg. The method was applied to 128 real samples. Benzylpenicillin was detected in 15 samples and Cloxacillin was detected in 7 samples. Oxacillin was detected in 2 samples. But the detected levels were under the MRL levels for penicillins in samples.

Keywords: Penicillins, livestock product, Multi-residue analysis, LC/MS/MS

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1088 Practical Evaluation of High-Efficiency Si-Based Tandem Solar Cells

Authors: Sue-Yi Chen, Wei-Chun Hsu, Jon-Yiew Gan

Abstract:

Si-based double-junction tandem solar cells have become a popular research topic because of the advantages of low manufacturing cost and high energy conversion efficiency. However, there is no set of calculations to select the appropriate top cell materials. Therefore, this paper will propose a simple but practical selection method. First of all, we calculate the S-Q limit and explain the reasons for developing tandem solar cells. Secondly, we calculate the theoretical energy conversion efficiency of the double-junction tandem solar cells while combining the commercial monocrystalline Si and materials' practical efficiency to consider the actual situation. Finally, we conservatively conclude that if considering 75% performance of the theoretical energy conversion efficiency of the top cell, the suitable bandgap energy range will fall between 1.38 eV to 2.5 eV. Besides, we also briefly describe some improvements of several proper materials, CZTS, CdSe, Cu2O, ZnTe, and CdS, hoping that future research can select and manufacture high-efficiency Si-based tandem solar cells based on this paper successfully. Most importantly, our calculation method is not limited to silicon solely. If other materials’ performances match or surpass silicon's ability in the future, researchers can also apply this set of deduction processes.

Keywords: High-efficiency solar cells, material selection, Si-based double-junction solar cells, tandem solar cells, photovoltaics.

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1087 Determination of Volatile Organic Compounds in Human Breath by Optical Fiber Sensing

Authors: C. I. L. Justino, L. I. B. Silva, K. Duarte, A. C. Freitas, T. A. P. Rocha-Santos, A. C. Duarte

Abstract:

This work proposes an optical fiber system (OF) for sensing various volatile organic compounds (VOCs) in human breath for the diagnosis of some metabolic disorders as a non-invasive methodology. The analyzed VOCs are alkanes (i.e., ethane, pentane, heptane, octane, and decane), and aromatic compounds (i.e., benzene, toluene, and styrene). The OF displays high analytical performance since it provides near real-time responses, rapid analysis, and low instrumentation costs, as well as it exhibits useful linear range and detection limits; the developed OF sensor is also comparable to a reference methodology (gas chromatography-mass spectrometry) for the eight tested VOCs.

Keywords: Breath analysis, gas chromatography-mass spectrometry, optical fiber sensor, volatile organic compounds

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1086 Heat Transfer from Two Cam Shaped Cylinders in Tandem Arrangement

Authors: Arash Mir Abdolah Lavasani, Hamidreza Bayat

Abstract:

Heat transfer from two cam shape cylinder in tandem arrangement had been studied numerically. The distance between the centers of cylinders (L) is allowed to vary to change the longitudinal pitch ratio (L/Deq). The equivalent diameter of the cylinder (Deq) is 27.6 mm and longitudinal pitch ratio varies in range 2<L/Deq<6. The Reynolds number based on equivalent circular cylinder are within 50< Reeq <300. Results show that Nusselt number of second cylinder increases about 5 to 33 times when longitudinal pitch ratio increases from 2 to 6.

Keywords: Cam Shaped, tandem Cylinders, Numerical, Heat Transfer.

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1085 Analysis of Roasted and Ground Grains on the Seoul (Korea) Market for Their Contaminants of Aflatoxins, Ochratoxin A and Fusarium Toxins by LC-MS/MS

Authors: So-young Jung, Bu-chuhl Choe, Gi-young Shin, Jung-hun Kim, Young-zoo Chae

Abstract:

A sensitive and specific method for quantitative determination of aflatoxins(B1, B2, G1,G2), deoxynivalenol, fumonisin(B1,B2), ochratoxin A, zearalenone, T-2 and HT-2 in roasted and ground grains using liquid chromatography combined with tandem mass spectrometry. A double extraction using a phosphate buffer solution followed by methanol was applied to achieve effective co extraction of 11 mycotoxins. A multitoxin immunoaffinity column for all these mycotoxins was used to clean up the extract. The LODs of mycotoxins were 0.1~6.1 μg/kg, LOQs were 0.3~18.4 μg/kg. Forty seven samples collected from Seoul (Korea) for mycotoxin contamination monitoring. The results showed that the occurrence of zearalenone and deoxynivalenol were frequent. Zearalenone was detected in all samples and deoxynivalenol was detected in 80.9 % samples in the range 0.626 ~ 29.264 μg/kg and N.D ~ 48.332 μg/kg respectively. Fumonisins and ochratoxin A were detected in 46.8% samples and 17 % samples respectively, aflatoxins and T-2/HT-2 toxins were not detected all samples.

Keywords: LC-MS/MS, mycotoxins, roasted and ground grains.

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1084 Use Cuticular Hydrocarbons as Chemotaxonomic of The Pamphagidae Pamphagus elephas (Insecta, Orthoptera) of Algeria

Authors: M. Bounechada, F. Benia, M. Aiouaz, S. Bouharati, N. Djirar, H. Benamrani

Abstract:

The cuticular hydrocarbons of Pamphagus elephas (Orthoptera: Pamphagidae) has been analysed by gas chromatography and by combined gas chromatograph-mass spectrometry. The following hydrocarbon classes have been identified in insect cuticular hydrocarbons are: n-alkanes and methylalkanes comprising Monomethyl-, dimethyl-and trimethylalkanes. Sexual dimorphism is observed in long chain alkanes (C24-C36) present on male and female. The cuticulars hydrocarbons of P.elephas ranged from 24 to 36 carbons and incluted n-alkanes, Dimethylalkanes and Trimethylalkanes. nalkanes represented by (C24-C36,72,7% on male and 79,2% on female), internally branched Monomethylalkanes identified were (C25, C30-C32,C35-C37;11% on male and 9,4% on female), Dimethylalkanes detected are (C31-C32, C36; 2,2% on male and 2,06% on female) and Trimethylalkanes detected are (C32, C36; 3,1% on male and 4, 97 on female). Larvae male and female (stage 7) showed the same quality of n-alkanes observed in adults. However a difference quantity is noted.

Keywords: Cuticular hydrocarbons, Gas chromatography, Mass spectrometry, Pamphagus elephas, , Sexual dimorphism

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1083 Synthesis, Characterization and Antibacterial Screening of 3-Hydroxy-2-[3-(2/3/4-Methoxybenzoyl)Thioureido]Butyric Acid

Authors: M. S. M. Yusof, R. Ramli, S. K. C. Soh, N. Ismail, N. Ngah

Abstract:

This study presents the synthesis of a series of methoxybenzoylthiourea amino acid derivatives. The compounds were obtained from the reactions between 2/3/4-methoxybenzoyl isothiocyanate with threonine. All of the compounds were characterized via mass spectrometry, 1H and 13C NMR spectrometry, UV-Vis spectrophotometer and FT-IR spectroscopy. Mass spectra for all of the compounds showed the presence of molecular ion [M]+ peaks at m/z 312, which are in agreement to the calculated molecular weight. For 1H NMR spectra, the presence of OCH3, C=S-NH and C=O-NH protons were observed within range of δH 3.8-4.0 ppm, 11.1-11.5 ppm and 10.0-11.5 ppm, respectively. 13C NMR spectra in all compounds displayed the presence of OCH3, C=O-NH, C=O-OH and C=S carbon resonances within range of δC 55.0-57.0 ppm, 165.0-168.0 ppm, 170.0-171.0 ppm and 180.0-182.0 ppm, respectively. In UV spectra, two absorption bands have been observed and both were assigned to the n-π* and π-π* transitions. Six vibrational modes of v(N-H), v(O-H), v(C=O-OH), v(C=O-NH), v(C=C) aromatic and v(C=S) appeared in the FT-IR spectra within the range of 3241-3467 cm-1, 2976-3302 cm-1, 1720-1768 cm-1, 1655-1672 cm-1, 1519-1525 cm-1 and 754-763 cm-1, respectively. The antibacterial activity for all of the compounds was screened against Staphylococcus aureus, Staphylococcus epidermidis, Salmonella typhimurium and Escherichia coli. However, no activity was observed.

Keywords: Methoxybenzoyl isothiocyanate, amino acid, threonine, antibacterial.

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1082 Analysis of Pharmaceuticals in Influents of Municipal Wastewater Treatment Plants in Jordan

Authors: O. A. Al-Mashaqbeh, A. M. Ghrair, D. Alsafadi, S. S. Dalahmeh, S. L. Bartelt-Hunt, D. D. Snow

Abstract:

Grab samples were collected in the summer to characterize selected pharmaceuticals and personal care products (PPCPs) in the influent of two wastewater treatment plants (WWTPs) in Jordan. Liquid chromatography tandem mass spectrometry (LC–MS/MS) was utilized to determine the concentrations of 18 compounds of PPCPs. Among all of the PPCPs analyzed, eight compounds were detected in the influent samples (1,7-dimethylxanthine, acetaminophen, caffeine, carbamazepine, cotinine, morphine, sulfamethoxazole and trimethoprim). However, five compounds (amphetamine, cimetidine, diphenhydramine, methylenedioxyamphetamine (MDA) and sulfachloropyridazine) were not detected in collected samples (below the detection limits <0.005 ng/l). Moreover, the results indicated that the highest concentration levels detected in collected samples were caffeine, acetaminophen, 1,7-dimethylxanthine, cotinine and carbamazepine at concentration of 182.5 µg/L, 28.7 µg/l, 7.47 µg/l, 4.67 µg/l and 1.54 µg/L, respectively. In general, most of compounds concentrations measured in wastewater in Jordan are within the range for wastewater previously reported in India wastewater except caffeine.

Keywords: Pharmaceuticals and personal care products, wastewater, Jordan.

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1081 The Fluid Limit of the Critical Processor Sharing Tandem Queue

Authors: Amal Ezzidani, Abdelghani Ben Tahar, Mohamed Hanini

Abstract:

A sequence of finite tandem queue is considered for this study. Each one has a single server, which operates under the egalitarian processor sharing discipline. External customers arrive at each queue according to a renewal input process and having a general service times distribution. Upon completing service, customers leave the current queue and enter to the next. Under mild assumptions, including critical data, we prove the existence and the uniqueness of the fluid solution. For asymptotic behavior, we provide necessary and sufficient conditions for the invariant state and the convergence to this invariant state. In the end, we establish the convergence of a correctly normalized state process to a fluid limit characterized by a system of algebraic and integral equations.

Keywords: Fluid Limit, fluid model, measure valued process, processor sharing, tandem queue.

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1080 Phthalate Exposure among Roma Population in Slovakia

Authors: Miroslava Šidlovská, Ida Petrovičová, Tomáš Pilka, Branislav Kolena

Abstract:

Phthalates are ubiquitous environmental pollutants well known because of their endocrine disrupting activity in human organism. The aim of our study was, by biological monitoring, investigate exposure to phthalates of Roma ethnicity group i.e. children and adults from 5 families (n=29, average age 11.8 ± 7.6 years) living in western Slovakia. Additionally, we analysed some associations between anthropometric measures, questionnaire data i.e. socio-economic status, eating and drinking habits, practise of personal care products and household conditions in comparison with concentrations of phthalate metabolites. We used for analysis of urine samples high performance liquid chromatography and tandem mass spectrometry (HPLC-MS/MS) to determine concentrations of phthalate metabolites monoethyl phthalate (MEP), mono-n-butyl phthalate (MnBP), mono-iso-butyl phthalate (MiBP), mono(2-ethyl- 5-hydroxyhexyl) phthalate (5OH-MEHP), mono(2-ethyl-5-oxohexyl) phthalate (5oxo-MEHP) and mono(2-etylhexyl) phthalate (MEHP). Our results indicate that ethnicity, lower socioeconomic status and different housing conditions in Roma population can affect urinary concentration of phthalate metabolites.

Keywords: Biomonitoring, ethnicity, human exposure, phthalate metabolites.

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1079 Numerical Simulation of Turbulent Flow around Two Cam Shaped Cylinders in Tandem Arrangement

Authors: Arash Mir Abdolah Lavasani, Meghdad Ebrahimi Sabet

Abstract:

In this paper, the 2-D unsteady viscous flow around two cam shaped cylinders in tandem arrangement is numerically simulated in order to study the characteristics of the flow in turbulent regimes. The investigation covers the effects of high subcritical and supercritical Reynolds numbers and L/D ratio on total drag coefficient. The equivalent diameter of cylinders is 27.6 mm The space between center to center of two cam shaped cylinders is define as longitudinal pitch ratio and it varies in range of 1.5< L/D<6. Reynolds number base on equivalent circular cylinder varies in range of 27×103< Re <166×103 Results show that drag coefficient of both cylinders depends on pitch ratio. However, drag coefficient of downstream cylinder is more dependent on the pitch ratio.

Keywords: Cam shaped, tandem, numerical, drag coefficient, turbulent.

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1078 Study on the Derivatization Process Using N-O-bis-(trimethylsilyl)-trifluoroacetamide, N-(tert-butyldimethylsilyl)-N-methyltrifluoroace tamide, Trimethylsilydiazomethane for the Determination of Fecal Sterols by Gas Chromatography-Mass Spectrometry

Authors: Jingming Wu, Ruikang Hu, Junqi Yue, Zhaoguang Yang, Lifeng Zhang

Abstract:

Fecal sterol has been proposed as a chemical indicator of human fecal pollution even when fecal coliform populations have diminished due to water chlorination or toxic effects of industrial effluents. This paper describes an improved derivatization procedure for simultaneous determination of four fecal sterols including coprostanol, epicholestanol, cholesterol and cholestanol using gas chromatography-mass spectrometry (GC-MS), via optimization study on silylation procedures using N-O-bis (trimethylsilyl)-trifluoroacetamide (BSTFA), and N-(tert-butyldimethylsilyl)-N-methyltrifluoroacetamide (MTBSTFA), which lead to the formation of trimethylsilyl (TMS) and tert-butyldimethylsilyl (TBS) derivatives, respectively. Two derivatization processes of injection-port derivatization and water bath derivatization (60 oC, 1h) were inspected and compared. Furthermore, the methylation procedure at 25 oC for 2h with trimethylsilydiazomethane (TMSD) for fecal sterols analysis was also studied. It was found that most of TMS derivatives demonstrated the highest sensitivities, followed by methylated derivatives. For BSTFA or MTBSTFA derivatization processes, the simple injection-port derivatization process could achieve the same efficiency as that in the tedious water bath derivatization procedure.

Keywords: Fecal Sterols, Methylation, Silylation, BSTFA, MTBSTFA, TMSD, GC-MS.

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1077 Study on the Derivatization Process Using N-O-bis-(trimethylsilyl)-trifluoroacetamide,N-(tert-butyldimethylsilyl)-N-methyltrifluoroacetamide, Trimethylsilydiazomethane for the Determination of Fecal Sterols by Gas Chromatography-Mass Spectrometry

Authors: Jingming Wu, Ruikang Hu, Junqi Yue, Zhaoguang Yang, Lifeng Zhang

Abstract:

Fecal sterol has been proposed as a chemical indicator of human fecal pollution even when fecal coliform populations have diminished due to water chlorination or toxic effects of industrial effluents. This paper describes an improved derivatization procedure for simultaneous determination of four fecal sterols including coprostanol, epicholestanol, cholesterol and cholestanol using gas chromatography-mass spectrometry (GC-MS), via optimization study on silylation procedures using N-O-bis (trimethylsilyl)-trifluoroacetamide (BSTFA), and N-(tert-butyldimethylsilyl)-N-methyltrifluoroacetamide (MTBSTFA), which lead to the formation of trimethylsilyl (TMS) and tert-butyldimethylsilyl (TBS) derivatives, respectively. Two derivatization processes of injection-port derivatization and water bath derivatization (60 oC, 1h) were inspected and compared. Furthermore, the methylation procedure at 25 oC for 2h with trimethylsilydiazomethane (TMSD) for fecal sterols analysis was also studied. It was found that most of TMS derivatives demonstrated the highest sensitivities, followed by methylated derivatives. For BSTFA or MTBSTFA derivatization processes, the simple injection-port derivatization process could achieve the same efficiency as that in the tedious water bath derivatization procedure.

Keywords: Fecal Sterols, Methylation, Silylation, BSTFA, MTBSTFA, TMSD, GC-MS.

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1076 Theoretical Isotope Generator: An Alternative towards Isotope Pattern Calculator

Authors: K. Massila, R. D. Stein, S. M. Suhaizan, A. A. Azlianor

Abstract:

A number of mass spectrometry applications are already available as web-based and windows-based systems to calculate isotope pattern and to display the mass spectrum based on the specific molecular formula besides providing necessary information. These applications were evaluated and compared with our new alternative application called Theoretical Isotope Generator (TIG) in terms of its functionality and features provided to prove this new application is working better and performing well. TIG provides extra features than others, complete with several functionality such as drawing, normalizing and zooming the generated graph that convey with the molecular information in a number of formats by providing the details of the calculation and molecules. Thus, any chemist, students, lecturers and researchers from anywhere could use TIG to gain related information on molecules and their relative intensity.

Keywords: Isotope pattern calculator, mass number, massspectrum, relative intensity.

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1075 Utilization of 3-N-trimethylamino-1-propanol by Rhodococcus sp. strain A4 isolated from Natural Soil

Authors: Isam A. Mohamed Ahmed, Jiro Arima, Tsuyoshi Ichiyanagi, Emi Sakuno, Nobuhiro Mori

Abstract:

The aim of this study was to screen for microorganism that able to utilize 3-N-trimethylamino-1-propanol (homocholine) as a sole source of carbon and nitrogen. The aerobic degradation of homocholine has been found by a gram-positive Rhodococcus sp. bacterium isolated from soil. The isolate was identified as Rhodococcus sp. strain A4 based on the phenotypic features, physiologic and biochemical characteristics, and phylogenetic analysis. The cells of the isolated strain grown on both basal-TMAP and nutrient agar medium displayed elementary branching mycelia fragmented into irregular rod and coccoid elements. Comparative 16S rDNA sequencing studies indicated that the strain A4 falls into the Rhodococcus erythropolis subclade and forms a monophyletic group with the type-strains of R. opacus, and R. wratislaviensis. Metabolites analysis by capillary electrophoresis, fast atom bombardment-mass spectrometry, and gas chromatography- mass spectrometry, showed trimethylamine (TMA) as the major metabolite beside β-alanine betaine and trimethylaminopropionaldehyde. Therefore, the possible degradation pathway of trimethylamino propanol in the isolated strain is through consequence oxidation of alcohol group (-OH) to aldehyde (-CHO) and acid (-COOH), and thereafter the cleavage of β-alanine betaine C-N bonds yielded trimethylamine and alkyl chain.

Keywords: Homocholine, 3-N-trimethylamino-1-propanol, Quaternary ammonium compounds, 16S rDNA gene sequence.

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1074 Treatment of Low-Grade Iron Ore Using Two Stage Wet High-Intensity Magnetic Separation Technique

Authors: Moses C. Siame, Kazutoshi Haga, Atsushi Shibayama

Abstract:

This study investigates the removal of silica, alumina and phosphorus as impurities from Sanje iron ore using wet high-intensity magnetic separation (WHIMS). Sanje iron ore contains low-grade hematite ore found in Nampundwe area of Zambia from which iron is to be used as the feed in the steelmaking process. The chemical composition analysis using X-ray Florence spectrometer showed that Sanje low-grade ore contains 48.90 mass% of hematite (Fe2O3) with 34.18 mass% as an iron grade. The ore also contains silica (SiO2) and alumina (Al2O3) of 31.10 mass% and 7.65 mass% respectively. The mineralogical analysis using X-ray diffraction spectrometer showed hematite and silica as the major mineral components of the ore while magnetite and alumina exist as minor mineral components. Mineral particle distribution analysis was done using scanning electron microscope with an X-ray energy dispersion spectrometry (SEM-EDS) and images showed that the average mineral size distribution of alumina-silicate gangue particles is in order of 100 μm and exists as iron-bearing interlocked particles. Magnetic separation was done using series L model 4 Magnetic Separator. The effect of various magnetic separation parameters such as magnetic flux density, particle size, and pulp density of the feed was studied during magnetic separation experiments. The ore with average particle size of 25 µm and pulp density of 2.5% was concentrated using pulp flow of 7 L/min. The results showed that 10 T was optimal magnetic flux density which enhanced the recovery of 93.08% of iron with 53.22 mass% grade. The gangue mineral particles containing 12 mass% silica and 3.94 mass% alumna remained in the concentrate, therefore the concentrate was further treated in the second stage WHIMS using the same parameters from the first stage. The second stage process recovered 83.41% of iron with 67.07 mass% grade. Silica was reduced to 2.14 mass% and alumina to 1.30 mass%. Accordingly, phosphorus was also reduced to 0.02 mass%. Therefore, the two stage magnetic separation process was established using these results.

Keywords: Sanje iron ore, magnetic separation, silica, alumina, recovery.

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1073 Flow around Two Cam Shaped Cylinders in Tandem Arrangement

Authors: Arash Mir Abdolah Lavasani, Hamidreza Bayat

Abstract:

In this paper flow around two cam shaped cylinders had been studied numerically. The equivalent diameter of cylinders is 27.6 mm. The space between center to center of two cam shaped cylinders is define as longitudinal pitch ratio and it varies in range of 2 varies in range of 50 both cylinders depends on pitch ratio. However drag coefficient of downstream cylinder is more dependent on the pitch ratio.

Keywords: Cam shaped, tandem cylinders, numerical, drag coefficient.

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1072 Proteomic Analysis of Tumor Tissue after Treatment with Ascorbic Acid

Authors: Seyeon Park, Mi Jang

Abstract:

Tumor cells have an invasive and metastatic phenotype that is the main cause of death for cancer patients. Tumor establishment and penetration consists of a series of complex processes involving multiple changes in gene expression. In this study, intraperitoneal administration of a high concentration of ascorbic acid inhibited tumor establishment and decreased tumor mass in BALB/C mice implanted with S-180 sarcoma cancer cells. To identify proteins involved in the ascorbic acid-mediated inhibition of tumor progression, changes in the tumor proteome associated with ascorbic acid treatment of BALB/C mice implanted with S-180 were investigated using two-dimensional gel electrophoresis and mass spectrometry. Twenty protein spots were identified whose expression was different between control and ascorbic acid treatment groups.

Keywords: Ascorbic acid, Proteomic analysis, S-180 implantedBALB/C mouse

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1071 Schrödinger Equation with Position-Dependent Mass: Staggered Mass Distributions

Authors: J. J. Peña, J. Morales, J. García-Ravelo, L. Arcos-Díaz

Abstract:

The Point canonical transformation method is applied for solving the Schrödinger equation with position-dependent mass. This class of problem has been solved for continuous mass distributions. In this work, a staggered mass distribution for the case of a free particle in an infinite square well potential has been proposed. The continuity conditions as well as normalization for the wave function are also considered. The proposal can be used for dealing with other kind of staggered mass distributions in the Schrödinger equation with different quantum potentials.

Keywords: Free particle, point canonical transformation method, position-dependent mass, staggered mass distribution.

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1070 Survival of Neutrino Mass Models in Nonthermal Leptogenesis

Authors: Amal Kr Sarma, H Zeen Devi, N Nimai Singh

Abstract:

The Constraints imposed by non-thermal leptogenesis on the survival of the neutrino mass models describing the presently available neutrino mass patterns, are studied numerically. We consider the Majorana CP violating phases coming from right-handed Majorana mass matrices to estimate the baryon asymmetry of the universe, for different neutrino mass models namely quasi-degenerate, inverted hierarchical and normal hierarchical models, with tribimaximal mixings. Considering two possible diagonal forms of Dirac neutrino mass matrix as either charged lepton or up-quark mass matrix, the heavy right-handed mass matrices are constructed from the light neutrino mass matrix. Only the normal hierarchical model leads to the best predictions of baryon asymmetry of the universe, consistent with observations in non-thermal leptogenesis scenario.

Keywords: Thermal leptogenesis, Non-thermal leptogenesis.

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1069 Assessment of Photodynamic Therapy for Staphylococcus Aureus Infected Wounds using Diffuse Reflectance Spectrometry

Authors: M.A. Calin, D. Voicu, M.R. Calin, D. Savastru, D. Manea

Abstract:

In this paper we evaluated the efficacy of photodynamic treatment of infected wounds on pig animal model by diffuse reflectance spectrometry. The study was conducted on fifteen wounds contaminated with Staphylococcus aureus bacteria that were incubated for 30 min with methylene blue solution (c = 3.3 x 10-3 M) and exposed to laser radiations (λ = 670 nm, P = 15 mW) for 15 min. The efficiency of photodynamic inactivation of bacteria was evaluated by microbiological exams and diffuse reflectance spectrometry. The results of the microbiological exams showed that the bacterial concentration has decreased from 6.93±0.138 logCFU/ml to 3.12±0.108 logCFU/ml. The spectral examination showed that the diffuse reflectance of wounds contaminated with Staphylococcus aureus has decreased from 5.06±0.036 % to 3.36±0.025 %. In conclusion, photodynamic therapy is an effective method for the treatment of infected wounds and there is a correlation between the CFU count and diffuse reflectance.

Keywords: photodynamic inactivation, bacteria, pigs, wounds

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